Vitas-M small molecule compound
2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N,N-diphenylpropanamide
Catalog ID
STL441037
SMILES CC(=C)Cn1c(SC(C(=O)N(c2ccccc2)c2ccccc2)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C36H37N3O2S MW 575.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H37N3O2S/c1-25(2)24-38-34(41)31-32(30-20-12-11-15-27(30)23-36(31)21-13-6-14-22-36)37-35(38)42-26(3)33(40)39(28-16-7-4-8-17-28)29-18-9-5-10-19-29/h4-5,7-12,15-20,26H,1,6,13-14,21-24H2,2-3H3InChIKey
AVJVVWSNMRLXRV-UHFFFAOYSA-NSynonyms
2((3(2methylprop2en1yl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)NNdiphenylpropanamide
2(3(2METHYLPROP2ENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLNNDIPHENYLPROPANAMIDE
CC(C(=O)N(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NC4=C(C(=O)N3CC(=C)C)C5(CCCCC5)CC6=CC=CC=C64
InChI=1SC36H37N3O2Sc125(2)243834(41)3132(302012111527(30)2336(31)21136142236)3735(38)4226(3)33(40)39(28167481728)291895101929h45712152026H1613142124H223H3
MFCD06243762
ZINC000003771699
ZINC000003771700
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